| CID | 1199947 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 587 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYAAAAAAAAEgB0AAAHgAQAAAADIzBmAcyDoPABECIAqFSEAKCCAAkIAAIiAHOjMgfJjKEtT+nOSrk1BGeqYe43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-tert-butyl-furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-tert-butyl-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-tert-butyl-furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-tert-butyl-2-furamide |
| pubchem_nist_inchi | InChI=1S/C25H28N2O4/c1-25(2,3)26-24(28)22-12-10-20(31-22)16-27(14-18-7-5-4-6-8-18)15-19-9-11-21-23(13-19)30-17-29-21/h4-13H,14-17H2,1-3H3,(H,26,28) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 420.204907 |
| pubchem_molecular_formula | C25H28N2O4 |
| pubchem_molecular_weight | 420.50082 |
| pubchem_openeye_can_smiles | CC(C)(C)NC(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_openeye_iso_smiles | CC(C)(C)NC(=O)C1=CC=C(O1)CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 420.204907 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 31 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 1 12 8
1 17 8
11 18 8
11 21 8
12 20 8
16 26 8
16 27 8
17 23 8
18 22 8
20 23 8
21 25 8
22 24 8
24 25 8
26 29 8
27 30 8
29 31 8
30 31 8 |
